SCHEMBL210731

SCHEMBL210731

COCOC(C)(C)c1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
HDAC1 Q13547 1/20 0.34
ADORA2A P29274 1/20 0.33
ATM Q13315 1/20 0.33
DGAT1 O75907 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1818566 0.83 GBA1 (0.41) GBA1ATMPDE10ANPC1RAB9A
SCHEMBL18808193 0.81 CCR1 (0.36) HDAC1ADORA2APDE10AKDM4E
SCHEMBL31169366 0.80 GBA1 (0.36) GBA1ATMDGAT1PDE10ANPC1
SCHEMBL1818004 0.80 GBA1 (0.36) GBA1ATMDGAT1PDE10ANPC1
SCHEMBL16523823 0.80 HDAC1 (0.36) HDAC1ADORA2A
SCHEMBL2733260 0.80 HDAC1 (0.36) HDAC1ADORA2AATMNPC1RAB9A
SCHEMBL1565669 0.79 DGAT1 (0.36) GBA1DGAT1
SCHEMBL10272808 0.79 ADORA2A (0.38) HDAC1ADORA2APDE10ANPC1RAB9A
SCHEMBL30834721 0.78 GBA1 (0.33) GBA1PDE10ARAB9AKDM4EALDH1A1
SCHEMBL210170 0.76 HDAC1 (0.35) HDAC1ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593113-B2 Imide and acylurea derivatives as modulators of the glucocorticoid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-14 US disclosed
US-9593113-B2 Imide and acylurea derivatives as modulators of the glucocorticoid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-14 US disclosed
US-20160185776-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 US disclosed
US-20160185776-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 US disclosed
WO-2015027021-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-26 WO disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 GBA1 864/4885HDAC1 1/4885ADORA2A 4077/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 GBA1 858/4885HDAC1 1/4885ADORA2A 4051/4885
US-20160185776-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR NFKBIA, IKBKB, NFRKB GBA1 2457/4885HDAC1 192/4885ADORA2A 2489/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.